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Specific Ion Effects in Solutions of Globular Proteins: Comparison between Analytical Models and Simulation

Bostrom, Mathias Anders; Tavares, Frederico W; Bratko, D.; Ninham, Barry


Monte Carlo simulations have been performed for ion distributions outside a single globular macroion and for a pair of macroions, in different salt solutions. The model that we use includes both electrostatic and van der Waals interactions between ions and between ions and macroions. Simulation results are compared with the predictions of the Ornstein-Zernike equation with the hypernetted chain closure approximation and the nonlinear Poisson-Boltzmann equation, both augmented by pertinent van...[Show more]

CollectionsANU Research Publications
Date published: 2005
Type: Journal article
Source: Journal of Physical Chemistry B
DOI: 10.1021/jp0551869


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